CID 3075933

2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-n-(1h-indol-4-yl)benzamide oxalate

Structural Information

Molecular Formula
C22H27N3O3
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CN3)O
InChI
InChI=1S/C22H27N3O3/c1-22(2,3)24-13-15(26)14-28-20-10-5-4-7-17(20)21(27)25-19-9-6-8-18-16(19)11-12-23-18/h4-12,15,23-24,26H,13-14H2,1-3H3,(H,25,27)
InChIKey
MHDAEDSAJFFVRZ-UHFFFAOYSA-N
Compound name
2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-(1H-indol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

381.20523 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.21251 193.2
[M+Na]+ 404.19445 202.6
[M+NH4]+ 399.23905 198.4
[M+K]+ 420.16839 199.2
[M-H]- 380.19795 195.4
[M+Na-2H]- 402.17990 198.3
[M]+ 381.20468 194.9
[M]- 381.20578 194.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe